Geometry & MOs

Info

ID:	154944
PubChem CID:	56314500
Reduced:	FN3O3C28H28 (1)
Stoich.:	AB3C3D28E28 (1)
Weight, g/mol:	476.152969
ΔH_f, kcal/mol:	-70.17
Dipole, Da:	4.33
IP(EA), eV:	-9.26(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations